CID 72207457

1363381-38-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

CC(C)(C)OC(=O)NC1(COC1)C(=O)OC

InChI

InChI=1S/C10H17NO5/c1-9(2,3)16-8(13)11-10(5-15-6-10)7(12)14-4/h5-6H2,1-4H3,(H,11,13)

InChIKey

GWYLPDSCEUAFEZ-UHFFFAOYSA-N

Compound name

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 231.11067 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.117946	151.4
[M+Na]+	254.099888	154.9
[M-H]-	230.103394	155.2
[M+NH4]+	249.144493	162.9
[M+K]+	270.073828	160.7
[M+H-H2O]+	214.107930	141.6
[M+HCOO]-	276.108871	170.0
[M+CH3COO]-	290.124521	192.5
[M+Na-2H]-	252.085336	156.9
[M]+	231.11012142	163.4
[M]-	231.11121858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe